1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C11H17N3O3 — CID 121435462

IUPAC1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(C)n1[nH]c(=O)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-8-4-5-13(10(16)17)6-7(8)9(15)12-14/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyKQQRODUFWJZPMD-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.97
Rot. Bonds

About 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435462) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435462
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC(C)(C)n1[nH]c(=O)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-8-4-5-13(10(16)17)6-7(8)9(15)12-14/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyKQQRODUFWJZPMD-UHFFFAOYSA-N
XLogP0.97
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435462) is 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CC(C)(C)n1[nH]c(=O)c2c1CCN(C(=O)O)C2.
What is the InChIKey of 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is KQQRODUFWJZPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)14-8-4-5-13(10(16)17)6-7(8)9(15)12-14/h4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).